3-methyloxetane

C4H8O — CID 529315

IUPAC3-methyloxetane
SMILESCC1COC1
InChIInChI=1S/C4H8O/c1-4-2-5-3-4/h4H,2-3H2,1H3
InChIKeyVJQHJNIGWOABDZ-UHFFFAOYSA-N
MW72.11 g/mol
LogP0.65
Rot. Bonds

About 3-methyloxetane

3-methyloxetane (PubChem CID 529315) has the molecular formula C4H8O and a molecular weight of 72.11 g/mol. Its IUPAC name is 3-methyloxetane.

Molecular Properties

Compound Name3-methyloxetane
PubChem CID529315
Molecular FormulaC4H8O
Molecular Weight72.11 g/mol
Exact Mass72.06
IUPAC Name3-methyloxetane
SMILESCC1COC1
InChIInChI=1S/C4H8O/c1-4-2-5-3-4/h4H,2-3H2,1H3
InChIKeyVJQHJNIGWOABDZ-UHFFFAOYSA-N
XLogP0.65
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50072.11
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Ether, isobutyl methyl
CID 12250
3,3-Dimethyloxetane
CID 23352
1-Ethoxy-2-methylpropane
CID 69386
Oxetane, 3-(1-methylethyl)-
CID 543882
2-Fluoro-3-methyloxetane
CID 54520016
Oxetane, 3-ethyl
CID 529308
3,3-Dimethyloxetane hydrogen fluoride
CID 86038663
3,3-Dimethyloxetane hydrogen chloride
CID 129828985
CID 162418798
CID 162418798
3-(Methoxymethyl)oxetane
CID 13827493
CID 16170461
CID 16170461
3-(Ethoxymethyl)oxetane
CID 20063135

Frequently Asked Questions

What is the IUPAC name of 3-methyloxetane?
The IUPAC name of 3-methyloxetane (CID 529315) is 3-methyloxetane.
What is the SMILES notation for 3-methyloxetane?
The canonical SMILES for 3-methyloxetane is CC1COC1.
What is the InChIKey of 3-methyloxetane?
The InChIKey is VJQHJNIGWOABDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O/c1-4-2-5-3-4/h4H,2-3H2,1H3.
What are the key properties of 3-methyloxetane?
3-methyloxetane has a molecular weight of 72.11 g/mol, XLogP of 0.65, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyloxetane is sourced from PubChem (CID 529315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).